N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide

C26H28N2O — CID 22525600

IUPACN-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide
SMILESCCCC[C@@H]1C[C@@H]1C(NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-2-3-8-22-17-24(22)25(28-26(29)23-11-7-16-27-18-23)21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-7,9-16,18,22,24-25H,2-3,8,17H2,1H3,(H,28,29)/t22-,24+,25?/m1/s1
InChIKeyFTBXSQVMRIYSKN-JNLGJKASSA-N
MW384.52 g/mol
LogP6.05
Rot. Bonds8

About N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide

N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 22525600) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide
PubChem CID22525600
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide
SMILESCCCC[C@@H]1C[C@@H]1C(NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-2-3-8-22-17-24(22)25(28-26(29)23-11-7-16-27-18-23)21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-7,9-16,18,22,24-25H,2-3,8,17H2,1H3,(H,28,29)/t22-,24+,25?/m1/s1
InChIKeyFTBXSQVMRIYSKN-JNLGJKASSA-N
XLogP6.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide
CID 3247434
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide
CID 145337212
N-[1-(1-aminohexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119665124
N-octadecylpyridine-3-carboxamide
CID 3547337
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide (CID 22525600) is N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide is CCCC[C@@H]1C[C@@H]1C(NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FTBXSQVMRIYSKN-JNLGJKASSA-N. The full InChI is InChI=1S/C26H28N2O/c1-2-3-8-22-17-24(22)25(28-26(29)23-11-7-16-27-18-23)21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-7,9-16,18,22,24-25H,2-3,8,17H2,1H3,(H,28,29)/t22-,24+,25?/m1/s1.
What are the key properties of N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide?
N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-2-butylcyclopropyl]-(4-phenylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22525600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).